3-diphenylphosphanylpropanenitrile

C15H14NP — CID 4683193

IUPAC3-diphenylphosphanylpropanenitrile
SMILESN#CCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2
InChIKeyLTDNNZNQEQIURO-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.03
Rot. Bonds4

About 3-diphenylphosphanylpropanenitrile

3-diphenylphosphanylpropanenitrile (PubChem CID 4683193) has the molecular formula C15H14NP and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-diphenylphosphanylpropanenitrile.

Molecular Properties

Compound Name3-diphenylphosphanylpropanenitrile
PubChem CID4683193
Molecular FormulaC15H14NP
Molecular Weight239.26 g/mol
Exact Mass239.09
IUPAC Name3-diphenylphosphanylpropanenitrile
SMILESN#CCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2
InChIKeyLTDNNZNQEQIURO-UHFFFAOYSA-N
XLogP3.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanylpropanenitrile?
The IUPAC name of 3-diphenylphosphanylpropanenitrile (CID 4683193) is 3-diphenylphosphanylpropanenitrile.
What is the SMILES notation for 3-diphenylphosphanylpropanenitrile?
The canonical SMILES for 3-diphenylphosphanylpropanenitrile is N#CCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanylpropanenitrile?
The InChIKey is LTDNNZNQEQIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2.
What are the key properties of 3-diphenylphosphanylpropanenitrile?
3-diphenylphosphanylpropanenitrile has a molecular weight of 239.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylpropanenitrile is sourced from PubChem (CID 4683193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).